| CAS Number | 731847-94-2 |
| Catalog Number | AG019WR0(AGN-PC-03VYFJ) |
| Chemical Name | 4-(4-Iodophenoxy)butanoic acid |
| IUPAC Name | 4-(4-iodophenoxy)butanoic acid |
| InChI | InChI=1S/C10H11IO3/c11-8-3-5-9(6-4-8)14-7-1-2-10(12)13/h3-6H,1-2,7H2,(H,12,13) |
| InChI Key | KNJVONAIYWOGAG-UHFFFAOYSA-N |
| MDL Number | MFCD11182804 |
| Molecular Formula | C10H11IO3 |
| Molecular Weight | 306.0970 |
| SMILES | OC(CCCOC1=CC=C(I)C=C1)=O |
| Synonyms | 4-(4-iodophenoxy)butanoic acid,
731847-94-2,
AC1Q75JB,
SCHEMBL3809894,
CTK7J3901,
KNJVONAIYWOGAG-UHFFFAOYSA-N,
Butanoic acid, 4-(4-iodophenoxy)-,
ZINC36904078,
AKOS009333818,
MCULE-4714998652,
NE15063,
EN300-52870,
AB01004473-01,
Z802665934,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.099g/mol |
| Monoisotopic Mass | 305.975g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number